1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine

C10H15Cl2NS — CID 114874213

IUPAC1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4,13H2,1-2H3
InChIKeyXVEQBEOOGBKEGL-UHFFFAOYSA-N
MW252.21 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine

1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine (PubChem CID 114874213) has the molecular formula C10H15Cl2NS and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
PubChem CID114874213
Molecular FormulaC10H15Cl2NS
Molecular Weight252.21 g/mol
Exact Mass251.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4,13H2,1-2H3
InChIKeyXVEQBEOOGBKEGL-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
CID 114876054
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
CID 107968221
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874589
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine (CID 114874213) is 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine is CCC(C)CC(N)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine?
The InChIKey is XVEQBEOOGBKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4,13H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine has a molecular weight of 252.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).